SCHEMBL27415293

SCHEMBL27415293

O=[C]N(C(=O)NCCO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
CACNA1B Q00975 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7661404 0.86 MTNR1A (0.38) POLBCYP3A4TSHRMTNR1AMTNR1B
SCHEMBL6962144 0.85 PTGES (0.45) POLBTSHRMTNR1AMTNR1BHTT
SCHEMBL27449003 0.81 ALDH1A1 (0.50) POLBTSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1269406 0.81 NAAA (0.51) TSHRHTTALDH1A1NPC1RAB9A
SCHEMBL7667932 0.81 OPRM1 (0.44) TSHRMTNR1AMTNR1BHTTSMN1; SMN2
SCHEMBL7892825 0.80 NAAA (0.54) HTTALDH1A1NPC1RAB9ANPSR1
SCHEMBL4681303 0.78 HPGD (0.45) POLBMTNR1AMTNR1BHTTSMN1; SMN2
SCHEMBL7663064 0.78 MTNR1A (0.37) TSHRMTNR1AMTNR1BHTTALDH1A1
SCHEMBL19527581 0.76 POLB (0.43) POLBCYP3A4TSHRMTNR1AMTNR1B
SCHEMBL6639923 0.75 L3MBTL1 (0.40) CYP3A4TSHRMTNR1AMTNR1BHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097417-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-18 CN disclosed